N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide

C30H20N2O5 — CID 4682019

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C30H20N2O5/c1-35-26-14-13-21(29-32-23-10-3-5-12-27(23)36-29)17-24(26)31-28(33)20-9-6-8-18(15-20)22-16-19-7-2-4-11-25(19)37-30(22)34/h2-17H,1H3,(H,31,33)
InChIKeyFTXLNLSOLHMNRE-UHFFFAOYSA-N
MW488.50 g/mol
LogP6.53
Rot. Bonds5

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide (PubChem CID 4682019) has the molecular formula C30H20N2O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
PubChem CID4682019
Molecular FormulaC30H20N2O5
Molecular Weight488.50 g/mol
Exact Mass488.14
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C30H20N2O5/c1-35-26-14-13-21(29-32-23-10-3-5-12-27(23)36-29)17-24(26)31-28(33)20-9-6-8-18(15-20)22-16-19-7-2-4-11-25(19)37-30(22)34/h2-17H,1H3,(H,31,33)
InChIKeyFTXLNLSOLHMNRE-UHFFFAOYSA-N
XLogP6.53
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3367913
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide (CID 4682019) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is FTXLNLSOLHMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O5/c1-35-26-14-13-21(29-32-23-10-3-5-12-27(23)36-29)17-24(26)31-28(33)20-9-6-8-18(15-20)22-16-19-7-2-4-11-25(19)37-30(22)34/h2-17H,1H3,(H,31,33).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 488.50 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 4682019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).