N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C14H21N3O3 — CID 95135631

IUPACN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC1=NO[C@](C)(CNC(=O)c2cc(CC(C)C)on2)C1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-19-11)13(18)15-8-14(4)7-10(3)16-20-14/h6,9H,5,7-8H2,1-4H3,(H,15,18)/t14-/m0/s1
InChIKeyPMHLIOCTHUJXPY-AWEZNQCLSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds5

About N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 95135631) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID95135631
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC1=NO[C@](C)(CNC(=O)c2cc(CC(C)C)on2)C1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-19-11)13(18)15-8-14(4)7-10(3)16-20-14/h6,9H,5,7-8H2,1-4H3,(H,15,18)/t14-/m0/s1
InChIKeyPMHLIOCTHUJXPY-AWEZNQCLSA-N
XLogP2.16
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
CID 95052080
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253336
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156972
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone
CID 160839881
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
CID 70788626

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 95135631) is N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC1=NO[C@](C)(CNC(=O)c2cc(CC(C)C)on2)C1.
What is the InChIKey of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PMHLIOCTHUJXPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)5-11-6-12(17-19-11)13(18)15-8-14(4)7-10(3)16-20-14/h6,9H,5,7-8H2,1-4H3,(H,15,18)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95135631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).