2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide

C24H22N2O3 — CID 17127516

IUPAC2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-15(2)16-8-10-17(11-9-16)24-26-20-14-18(12-13-22(20)29-24)25-23(27)19-6-4-5-7-21(19)28-3/h4-15H,1-3H3,(H,25,27)
InChIKeyWZQSSTUSLFDERV-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.88
Rot. Bonds5

About 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide

2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 17127516) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID17127516
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-15(2)16-8-10-17(11-9-16)24-26-20-14-18(12-13-22(20)29-24)25-23(27)19-6-4-5-7-21(19)28-3/h4-15H,1-3H3,(H,25,27)
InChIKeyWZQSSTUSLFDERV-UHFFFAOYSA-N
XLogP5.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17127670
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4574036
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5229080
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1341227
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 17127516) is 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1.
What is the InChIKey of 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is WZQSSTUSLFDERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15(2)16-8-10-17(11-9-16)24-26-20-14-18(12-13-22(20)29-24)25-23(27)19-6-4-5-7-21(19)28-3/h4-15H,1-3H3,(H,25,27).
What are the key properties of 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 17127516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).