N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 20950959

IUPACN-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(CN3CCCC3)on2)c1
InChIInChI=1S/C16H19N3O3/c1-21-13-6-4-5-12(9-13)17-16(20)15-10-14(22-18-15)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,20)
InChIKeyCTWRLMFPUFFAGE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.53
Rot. Bonds5

About N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 20950959) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID20950959
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(CN3CCCC3)on2)c1
InChIInChI=1S/C16H19N3O3/c1-21-13-6-4-5-12(9-13)17-16(20)15-10-14(22-18-15)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,20)
InChIKeyCTWRLMFPUFFAGE-UHFFFAOYSA-N
XLogP2.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
methyl 1-[3-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]cyclobutane-1-carboxylate
CID 167827227
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
N-(4-bromo-3-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950980
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 56716703
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 20950959) is N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is COc1cccc(NC(=O)c2cc(CN3CCCC3)on2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CTWRLMFPUFFAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-6-4-5-12(9-13)17-16(20)15-10-14(22-18-15)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,20).
What are the key properties of N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).