5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C12H14N2O3 — CID 94177083

IUPAC5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(C)o2)no1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-11(16-7)9(3)13-12(15)10-6-8(2)17-14-10/h4-6,9H,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyIZPNRBBBLQGVBD-SECBINFHSA-N
MW234.25 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 94177083) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID94177083
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(C)o2)no1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-11(16-7)9(3)13-12(15)10-6-8(2)17-14-10/h4-6,9H,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyIZPNRBBBLQGVBD-SECBINFHSA-N
XLogP2.38
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47209094
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
CID 162919311
5-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 63722692
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 94177083) is 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)no1.
What is the InChIKey of 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IZPNRBBBLQGVBD-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-5-11(16-7)9(3)13-12(15)10-6-8(2)17-14-10/h4-6,9H,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94177083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).