N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

C18H18N2O3 — CID 53089495

IUPACN-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1
InChIInChI=1S/C18H18N2O3/c1-11(2)18-20-15-9-4-12(10-16(15)23-18)17(21)19-13-5-7-14(22-3)8-6-13/h4-11H,1-3H3,(H,19,21)
InChIKeySKPRTIVICJHSER-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds4

About N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 53089495) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID53089495
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1
InChIInChI=1S/C18H18N2O3/c1-11(2)18-20-15-9-4-12(10-16(15)23-18)17(21)19-13-5-7-14(22-3)8-6-13/h4-11H,1-3H3,(H,19,21)
InChIKeySKPRTIVICJHSER-UHFFFAOYSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494
2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 53089491
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 55620274
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 53089495) is N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is SKPRTIVICJHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)18-20-15-9-4-12(10-16(15)23-18)17(21)19-13-5-7-14(22-3)8-6-13/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).