5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C24H26N4O4 — CID 42377077

IUPAC5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)no1
InChIInChI=1S/C24H26N4O4/c1-17-14-22(27-32-17)23(29)25-15-18-6-5-13-28(16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-4,7-12,14,18H,5-6,13,15-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyUGTRHRCNMWCZFP-SFHVURJKSA-N
MW434.50 g/mol
LogP4.45
Rot. Bonds6

About 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42377077) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID42377077
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)no1
InChIInChI=1S/C24H26N4O4/c1-17-14-22(27-32-17)23(29)25-15-18-6-5-13-28(16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-4,7-12,14,18H,5-6,13,15-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyUGTRHRCNMWCZFP-SFHVURJKSA-N
XLogP4.45
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45172464
5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299
5-methyl-N-[[(3S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42190921
1-[[(3S)-1-methylpiperidin-3-yl]methyl]-3-(4-phenoxyphenyl)thiourea
CID 41256361
5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271643
5-methyl-N-[[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131917051
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71883290
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271451

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 42377077) is 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)no1.
What is the InChIKey of 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UGTRHRCNMWCZFP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-17-14-22(27-32-17)23(29)25-15-18-6-5-13-28(16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-4,7-12,14,18H,5-6,13,15-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1.
What are the key properties of 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42377077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).