2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide

C16H17ClN2O4 — CID 136587610

IUPAC2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H17ClN2O4/c1-21-14-6-7-22-8-12(14)18-15(20)13-9-23-16(19-13)10-4-2-3-5-11(10)17/h2-5,9,12,14H,6-8H2,1H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyGOYVLVUUUXKNEL-TZMCWYRMSA-N
MW336.78 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide

2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 136587610) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID136587610
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H17ClN2O4/c1-21-14-6-7-22-8-12(14)18-15(20)13-9-23-16(19-13)10-4-2-3-5-11(10)17/h2-5,9,12,14H,6-8H2,1H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyGOYVLVUUUXKNEL-TZMCWYRMSA-N
XLogP2.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 156609682
N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 136587597
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
CID 163319270

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide (CID 136587610) is 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1coc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is GOYVLVUUUXKNEL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-21-14-6-7-22-8-12(14)18-15(20)13-9-23-16(19-13)10-4-2-3-5-11(10)17/h2-5,9,12,14H,6-8H2,1H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide?
2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136587610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).