2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide

C17H18N4O3 — CID 154736632

IUPAC2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3nccn3C)cc2o1
InChIInChI=1S/C17H18N4O3/c1-10-19-12-4-3-11(9-14(12)24-10)17(22)20-13-5-8-23-15(13)16-18-6-7-21(16)2/h3-4,6-7,9,13,15H,5,8H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyZIMOPDHLFGJNGU-ZFWWWQNUSA-N
MW326.36 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide

2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide (PubChem CID 154736632) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
PubChem CID154736632
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3nccn3C)cc2o1
InChIInChI=1S/C17H18N4O3/c1-10-19-12-4-3-11(9-14(12)24-10)17(22)20-13-5-8-23-15(13)16-18-6-7-21(16)2/h3-4,6-7,9,13,15H,5,8H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyZIMOPDHLFGJNGU-ZFWWWQNUSA-N
XLogP2.13
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide;(E)-but-2-enoic acid
CID 91116087
N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 115272850
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzodioxole-4-carboxamide
CID 128974107
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide (CID 154736632) is 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3nccn3C)cc2o1.
What is the InChIKey of 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is ZIMOPDHLFGJNGU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-19-12-4-3-11(9-14(12)24-10)17(22)20-13-5-8-23-15(13)16-18-6-7-21(16)2/h3-4,6-7,9,13,15H,5,8H2,1-2H3,(H,20,22)/t13-,15-/m0/s1.
What are the key properties of 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide?
2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 154736632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).