4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C22H19N3O3 — CID 1397151

IUPAC4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C22H19N3O3/c1-14(2)27-18-8-5-15(6-9-18)21(26)24-17-7-10-20-19(12-17)25-22(28-20)16-4-3-11-23-13-16/h3-14H,1-2H3,(H,24,26)
InChIKeyAFJOZBXDMQXNEH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.93
Rot. Bonds5

About 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1397151) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1397151
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C22H19N3O3/c1-14(2)27-18-8-5-15(6-9-18)21(26)24-17-7-10-20-19(12-17)25-22(28-20)16-4-3-11-23-13-16/h3-14H,1-2H3,(H,24,26)
InChIKeyAFJOZBXDMQXNEH-UHFFFAOYSA-N
XLogP4.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092655
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
4-chloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2269824
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1363694

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1397151) is 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is AFJOZBXDMQXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14(2)27-18-8-5-15(6-9-18)21(26)24-17-7-10-20-19(12-17)25-22(28-20)16-4-3-11-23-13-16/h3-14H,1-2H3,(H,24,26).
What are the key properties of 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1397151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).