N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

C20H22N2O3 — CID 24794065

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc3oc(C(C)C)nc3c2)cc1
InChIInChI=1S/C20H22N2O3/c1-12(2)20-22-17-11-15(7-10-18(17)25-20)19(23)21-13(3)14-5-8-16(24-4)9-6-14/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyNFGCDUKSNAKUPV-CYBMUJFWSA-N
MW338.41 g/mol
LogP4.45
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 24794065) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID24794065
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc3oc(C(C)C)nc3c2)cc1
InChIInChI=1S/C20H22N2O3/c1-12(2)20-22-17-11-15(7-10-18(17)25-20)19(23)21-13(3)14-5-8-16(24-4)9-6-14/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyNFGCDUKSNAKUPV-CYBMUJFWSA-N
XLogP4.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 24794065) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is COc1ccc([C@@H](C)NC(=O)c2ccc3oc(C(C)C)nc3c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is NFGCDUKSNAKUPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)20-22-17-11-15(7-10-18(17)25-20)19(23)21-13(3)14-5-8-16(24-4)9-6-14/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24794065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).