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

C17H17N5O2 — CID 130327562

IUPACN-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cnn(C2CC(NC(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-11-10-18-22(20-11)14-7-13(8-14)19-17(23)15-9-16(24-21-15)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H,19,23)
InChIKeyULYIKRUFGZNFLT-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.38
Rot. Bonds4

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

N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 130327562) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID130327562
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cnn(C2CC(NC(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-11-10-18-22(20-11)14-7-13(8-14)19-17(23)15-9-16(24-21-15)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H,19,23)
InChIKeyULYIKRUFGZNFLT-UHFFFAOYSA-N
XLogP2.38
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608880
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-[3-[(1R)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615540
N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608760
N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608781
N-[3-(3-oxomorpholin-4-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615452
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-[3-[4-(1-hydroxyethyl)-1,2-dihydrotriazol-2-ium-3-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 163640174
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 130327562) is N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1cnn(C2CC(NC(=O)c3cc(-c4ccccc4)on3)C2)n1.
What is the InChIKey of N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ULYIKRUFGZNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-10-18-22(20-11)14-7-13(8-14)19-17(23)15-9-16(24-21-15)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H,19,23).
What are the key properties of N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130327562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).