N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide

C24H26N4O4 — CID 126470018

IUPACN-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)c1
InChIInChI=1S/C24H26N4O4/c1-15-8-10-28(11-9-15)20-7-6-17(13-19(20)23(25)29)27-24(30)21-22(32-14-26-21)16-4-3-5-18(12-16)31-2/h3-7,12-15H,8-11H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUXUJOVNUWJEQQV-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.94
Rot. Bonds6

About N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126470018) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126470018
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)c1
InChIInChI=1S/C24H26N4O4/c1-15-8-10-28(11-9-15)20-7-6-17(13-19(20)23(25)29)27-24(30)21-22(32-14-26-21)16-4-3-5-18(12-16)31-2/h3-7,12-15H,8-11H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUXUJOVNUWJEQQV-UHFFFAOYSA-N
XLogP3.94
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-(3-fluoro-4-methylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963666
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 110219072
N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3557772
N-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963654
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 126470018) is N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2ocnc2C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)c1.
What is the InChIKey of N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UXUJOVNUWJEQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-8-10-28(11-9-15)20-7-6-17(13-19(20)23(25)29)27-24(30)21-22(32-14-26-21)16-4-3-5-18(12-16)31-2/h3-7,12-15H,8-11H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126470018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).