2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide

C23H21N3O3 — CID 23723638

IUPAC2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NC(C)Cc4cccnc4)cc3o2)c1
InChIInChI=1S/C23H21N3O3/c1-15(11-16-5-4-10-24-14-16)25-22(27)17-8-9-20-21(13-17)29-23(26-20)18-6-3-7-19(12-18)28-2/h3-10,12-15H,11H2,1-2H3,(H,25,27)
InChIKeyCMTLJEZNWRFSIW-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.26
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide

2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 23723638) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID23723638
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NC(C)Cc4cccnc4)cc3o2)c1
InChIInChI=1S/C23H21N3O3/c1-15(11-16-5-4-10-24-14-16)25-22(27)17-8-9-20-21(13-17)29-23(26-20)18-6-3-7-19(12-18)28-2/h3-10,12-15H,11H2,1-2H3,(H,25,27)
InChIKeyCMTLJEZNWRFSIW-UHFFFAOYSA-N
XLogP4.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide (CID 23723638) is 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide is COc1cccc(-c2nc3ccc(C(=O)NC(C)Cc4cccnc4)cc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is CMTLJEZNWRFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(11-16-5-4-10-24-14-16)25-22(27)17-8-9-20-21(13-17)29-23(26-20)18-6-3-7-19(12-18)28-2/h3-10,12-15H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide?
2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(1-pyridin-3-ylpropan-2-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 23723638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).