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

C18H18N2O3 — CID 53089494

IUPACN-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-11(2)18-20-15-8-7-12(9-16(15)23-18)17(21)19-13-5-4-6-14(10-13)22-3/h4-11H,1-3H3,(H,19,21)
InChIKeyGCIWYBQQDXPBFJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 53089494) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID53089494
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-11(2)18-20-15-8-7-12(9-16(15)23-18)17(21)19-13-5-4-6-14(10-13)22-3/h4-11H,1-3H3,(H,19,21)
InChIKeyGCIWYBQQDXPBFJ-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-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 53089491
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 53089494) is N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is COc1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is GCIWYBQQDXPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)18-20-15-8-7-12(9-16(15)23-18)17(21)19-13-5-4-6-14(10-13)22-3/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
N-(3-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-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).