1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea

C17H28N4O3 — CID 125439774

IUPAC1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea
SMILESC[C@@H](CCNC(=O)N(C)Cc1cc(C2CC2)on1)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-13(21-7-9-23-10-8-21)5-6-18-17(22)20(2)12-15-11-16(24-19-15)14-3-4-14/h11,13-14H,3-10,12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyDWWJNTUBVSBGJB-ZDUSSCGKSA-N
MW336.44 g/mol
LogP1.80
Rot. Bonds7

About 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea (PubChem CID 125439774) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea
PubChem CID125439774
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea
SMILESC[C@@H](CCNC(=O)N(C)Cc1cc(C2CC2)on1)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-13(21-7-9-23-10-8-21)5-6-18-17(22)20(2)12-15-11-16(24-19-15)14-3-4-14/h11,13-14H,3-10,12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyDWWJNTUBVSBGJB-ZDUSSCGKSA-N
XLogP1.80
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea with MolForge

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Related Compounds

5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
N-((2R)-1-((1r,3R)-3-aminocyclobutane-1-carbonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242391
N-((2R)-1-(4-amino-3,3-dimethylbutanoyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242409
N-((2R)-1-((2R,5S)-5-aminotetrahydro-2H-pyran-2-carbonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242417
N-((2R)-1-(4-aminopiperidine-1-carbonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242422
N-((2R,4R)-1-(5-aminopentanoyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242513
N-((3S,4R)-1-(4-aminobutanoyl)-3-ethylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242590
N-((2R,4R)-1-(4-amino-3,3-dimethylbutanoyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242603
N-((2S,4S)-1-(4-amino-3,3-dimethylbutanoyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242628
5-cyclopropyl-N-((2S,4S)-1-((4-((2-methoxyethyl)(methyl)amino)piperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)isoxazole-3-carboxamide
CID 132243014

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea?
The IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea (CID 125439774) is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea is C[C@@H](CCNC(=O)N(C)Cc1cc(C2CC2)on1)N1CCOCC1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea?
The InChIKey is DWWJNTUBVSBGJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(21-7-9-23-10-8-21)5-6-18-17(22)20(2)12-15-11-16(24-19-15)14-3-4-14/h11,13-14H,3-10,12H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea?
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea has a molecular weight of 336.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea is sourced from PubChem (CID 125439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).