N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H18N4O3 — CID 86834372

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3=NOC(c4ccccc4)C3)CCC2)no1
InChIInChI=1S/C17H18N4O3/c1-11-18-16(21-23-11)17(8-5-9-17)19-15(22)13-10-14(24-20-13)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-10H2,1H3,(H,19,22)
InChIKeyRBHZJBKPFBFAIH-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 86834372) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID86834372
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3=NOC(c4ccccc4)C3)CCC2)no1
InChIInChI=1S/C17H18N4O3/c1-11-18-16(21-23-11)17(8-5-9-17)19-15(22)13-10-14(24-20-13)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-10H2,1H3,(H,19,22)
InChIKeyRBHZJBKPFBFAIH-UHFFFAOYSA-N
XLogP2.39
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
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2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
CID 86998426
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
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3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
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2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-phenylsulfanylpropanamide
CID 86933629
N-(3-cyanothiolan-3-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51092025
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
5-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 86834372) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is Cc1nc(C2(NC(=O)C3=NOC(c4ccccc4)C3)CCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is RBHZJBKPFBFAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-18-16(21-23-11)17(8-5-9-17)19-15(22)13-10-14(24-20-13)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-10H2,1H3,(H,19,22).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86834372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).