N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C16H18N2O3 — CID 92686767

IUPACN-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1noc2c1COc1ccc(C)cc1-2
InChIInChI=1S/C16H18N2O3/c1-4-10(3)17-16(19)14-12-8-20-13-6-5-9(2)7-11(13)15(12)21-18-14/h5-7,10H,4,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyNNQNERFCXQONPD-JTQLQIEISA-N
MW286.33 g/mol
LogP3.07
Rot. Bonds3

About N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 92686767) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID92686767
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1noc2c1COc1ccc(C)cc1-2
InChIInChI=1S/C16H18N2O3/c1-4-10(3)17-16(19)14-12-8-20-13-6-5-9(2)7-11(13)15(12)21-18-14/h5-7,10H,4,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyNNQNERFCXQONPD-JTQLQIEISA-N
XLogP3.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273647
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273761
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
N-(furan-2-ylmethyl)-8-methyl-N-(3-methylbutyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551104
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271776
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271745
N-[(2R)-butan-2-yl]-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 7416931
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271825

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 92686767) is N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CC[C@H](C)NC(=O)c1noc2c1COc1ccc(C)cc1-2.
What is the InChIKey of N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is NNQNERFCXQONPD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-10(3)17-16(19)14-12-8-20-13-6-5-9(2)7-11(13)15(12)21-18-14/h5-7,10H,4,8H2,1-3H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 92686767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).