N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C20H25N3O4 — CID 45201600

IUPACN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C20H25N3O4/c1-5-9-20(25,10-6-2)15(4)22-19(24)18-11-17(27-23-18)13-26-16-8-7-14(3)21-12-16/h5-8,11-12,15,25H,1-2,9-10,13H2,3-4H3,(H,22,24)
InChIKeyAIAAUEMDYHDXSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.96
Rot. Bonds10

About N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45201600) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID45201600
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C20H25N3O4/c1-5-9-20(25,10-6-2)15(4)22-19(24)18-11-17(27-23-18)13-26-16-8-7-14(3)21-12-16/h5-8,11-12,15,25H,1-2,9-10,13H2,3-4H3,(H,22,24)
InChIKeyAIAAUEMDYHDXSK-UHFFFAOYSA-N
XLogP2.96
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56708025
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42094150
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
2-methyl-N-[[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62443200
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 29182088
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 24790241
N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 28685109
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110217
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 45201600) is N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is C=CCC(O)(CC=C)C(C)NC(=O)c1cc(COc2ccc(C)nc2)on1.
What is the InChIKey of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AIAAUEMDYHDXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-9-20(25,10-6-2)15(4)22-19(24)18-11-17(27-23-18)13-26-16-8-7-14(3)21-12-16/h5-8,11-12,15,25H,1-2,9-10,13H2,3-4H3,(H,22,24).
What are the key properties of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45201600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).