5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C18H18N4O3 — CID 91198346

IUPAC5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2N)cc1
InChIInChI=1S/C18H18N4O3/c1-24-14-4-2-12(3-5-14)6-11-21-18(23)15-16(22-25-17(15)19)13-7-9-20-10-8-13/h2-5,7-10H,6,11,19H2,1H3,(H,21,23)
InChIKeyOKDACTOQEFIUAD-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.30
Rot. Bonds6

About 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 91198346) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID91198346
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2N)cc1
InChIInChI=1S/C18H18N4O3/c1-24-14-4-2-12(3-5-14)6-11-21-18(23)15-16(22-25-17(15)19)13-7-9-20-10-8-13/h2-5,7-10H,6,11,19H2,1H3,(H,21,23)
InChIKeyOKDACTOQEFIUAD-UHFFFAOYSA-N
XLogP2.30
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 53001941
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162939070
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446455
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
N-[[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 4585260
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 91198346) is 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2N)cc1.
What is the InChIKey of 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is OKDACTOQEFIUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-14-4-2-12(3-5-14)6-11-21-18(23)15-16(22-25-17(15)19)13-7-9-20-10-8-13/h2-5,7-10H,6,11,19H2,1H3,(H,21,23).
What are the key properties of 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91198346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).