(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium

C25H34N3O4U- — CID 167520591

IUPAC(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium
SMILESC#Cc1ccc(CO[N-]C)cc1.CC(C)c1cc(C(C(=O)N2CCC(O)C2)C(C)C)on1.[U]
InChIInChI=1S/C15H24N2O3.C10H10NO.U/c1-9(2)12-7-13(20-16-12)14(10(3)4)15(19)17-6-5-11(18)8-17;1-3-9-4-6-10(7-5-9)8-12-11-2;/h7,9-11,14,18H,5-6,8H2,1-4H3;1,4-7H,8H2,2H3;/q;-1;
InChIKeyFWZOURYHJDRMOH-UHFFFAOYSA-N
MW678.59 g/mol
LogP4.23
Rot. Bonds7

About (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium

(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium (PubChem CID 167520591) has the molecular formula C25H34N3O4U- and a molecular weight of 678.59 g/mol. Its IUPAC name is (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium.

Molecular Properties

Compound Name(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium
PubChem CID167520591
Molecular FormulaC25H34N3O4U-
Molecular Weight678.59 g/mol
Exact Mass678.31
IUPAC Name(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium
SMILESC#Cc1ccc(CO[N-]C)cc1.CC(C)c1cc(C(C(=O)N2CCC(O)C2)C(C)C)on1.[U]
InChIInChI=1S/C15H24N2O3.C10H10NO.U/c1-9(2)12-7-13(20-16-12)14(10(3)4)15(19)17-6-5-11(18)8-17;1-3-9-4-6-10(7-5-9)8-12-11-2;/h7,9-11,14,18H,5-6,8H2,1-4H3;1,4-7H,8H2,2H3;/q;-1;
InChIKeyFWZOURYHJDRMOH-UHFFFAOYSA-N
XLogP4.23
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-prop-1-en-2-yl-1,2-oxazol-5-yl)butan-1-one
CID 170581576
2-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 111781942
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 177281814
(2R)-2-[3-[[4-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]piperidin-1-yl]methyl]-1,2-oxazol-5-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 166965976
1-[3-[(4-ethynylphenyl)methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 166100960
N-[1-(4-ethynylphenyl)-2-hydroxy-2-methylpropyl]formamide;hydrazine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 170613273
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
benzyl (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxylate
CID 142572951
benzyl (2S,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxylate
CID 170212077
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 75464002

Frequently Asked Questions

What is the IUPAC name of (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium?
The IUPAC name of (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium (CID 167520591) is (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium.
What is the SMILES notation for (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium?
The canonical SMILES for (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium is C#Cc1ccc(CO[N-]C)cc1.CC(C)c1cc(C(C(=O)N2CCC(O)C2)C(C)C)on1.[U].
What is the InChIKey of (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium?
The InChIKey is FWZOURYHJDRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.C10H10NO.U/c1-9(2)12-7-13(20-16-12)14(10(3)4)15(19)17-6-5-11(18)8-17;1-3-9-4-6-10(7-5-9)8-12-11-2;/h7,9-11,14,18H,5-6,8H2,1-4H3;1,4-7H,8H2,2H3;/q;-1;.
What are the key properties of (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium?
(4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium has a molecular weight of 678.59 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylphenyl)methoxy-methylazanide;1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butan-1-one;uranium is sourced from PubChem (CID 167520591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).