4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide

C20H19ClN2O3 — CID 86828959

IUPAC4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2o1
InChIInChI=1S/C20H19ClN2O3/c1-13-22-17-6-5-16(12-18(17)26-13)23-19(24)20(7-9-25-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,23,24)
InChIKeyATRCWYFXMITFAH-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.48
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide

4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide (PubChem CID 86828959) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
PubChem CID86828959
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2o1
InChIInChI=1S/C20H19ClN2O3/c1-13-22-17-6-5-16(12-18(17)26-13)23-19(24)20(7-9-25-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,23,24)
InChIKeyATRCWYFXMITFAH-UHFFFAOYSA-N
XLogP4.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide (CID 86828959) is 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide is Cc1nc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2o1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide?
The InChIKey is ATRCWYFXMITFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-22-17-6-5-16(12-18(17)26-13)23-19(24)20(7-9-25-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,23,24).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide?
4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide is sourced from PubChem (CID 86828959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).