N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H22N4O2 — CID 119660427

IUPACN-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H22N4O2/c1-11(2)13(17)6-8-20(3)16(21)14-9-15(22-19-14)12-5-4-7-18-10-12/h4-5,7,9-11,13H,6,8,17H2,1-3H3
InChIKeySYQGWMUUZSQWQT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.18
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 119660427) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID119660427
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H22N4O2/c1-11(2)13(17)6-8-20(3)16(21)14-9-15(22-19-14)12-5-4-7-18-10-12/h4-5,7,9-11,13H,6,8,17H2,1-3H3
InChIKeySYQGWMUUZSQWQT-UHFFFAOYSA-N
XLogP2.18
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119657908
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119526848
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119661310
5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 55756186
N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 75395584
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119657591
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833
N-(3-amino-4-methylpentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119660482
N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119661472

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 119660427) is N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(C)C(N)CCN(C)C(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SYQGWMUUZSQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)13(17)6-8-20(3)16(21)14-9-15(22-19-14)12-5-4-7-18-10-12/h4-5,7,9-11,13H,6,8,17H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119660427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).