N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide

C19H20N4O4 — CID 126677297

IUPACN-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NC3CC(c4nnc([C@H](C)O)o4)C3)no2)c1
InChIInChI=1S/C19H20N4O4/c1-10-4-3-5-12(6-10)16-9-15(23-27-16)17(25)20-14-7-13(8-14)19-22-21-18(26-19)11(2)24/h3-6,9,11,13-14,24H,7-8H2,1-2H3,(H,20,25)/t11-,13?,14?/m0/s1
InChIKeyFNUWEVAQJNAWBC-XGNXJENSSA-N
MW368.39 g/mol
LogP2.76
Rot. Bonds5

About N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide

N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 126677297) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID126677297
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NC3CC(c4nnc([C@H](C)O)o4)C3)no2)c1
InChIInChI=1S/C19H20N4O4/c1-10-4-3-5-12(6-10)16-9-15(23-27-16)17(25)20-14-7-13(8-14)19-22-21-18(26-19)11(2)24/h3-6,9,11,13-14,24H,7-8H2,1-2H3,(H,20,25)/t11-,13?,14?/m0/s1
InChIKeyFNUWEVAQJNAWBC-XGNXJENSSA-N
XLogP2.76
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 118608782
5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
CID 118608819
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 144981675
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 137423307
N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608880
5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 46087302
N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118367784
N-[3-[3-[(1R)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615540
N-[3-[4-(1-hydroxyethyl)-1,2-dihydrotriazol-2-ium-3-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 163640174
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608781

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide (CID 126677297) is N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1cccc(-c2cc(C(=O)NC3CC(c4nnc([C@H](C)O)o4)C3)no2)c1.
What is the InChIKey of N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FNUWEVAQJNAWBC-XGNXJENSSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-10-4-3-5-12(6-10)16-9-15(23-27-16)17(25)20-14-7-13(8-14)19-22-21-18(26-19)11(2)24/h3-6,9,11,13-14,24H,7-8H2,1-2H3,(H,20,25)/t11-,13?,14?/m0/s1.
What are the key properties of N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126677297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).