N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H20N4O3 — CID 118608880

IUPACN-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1ccnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H20N4O3/c1-12(24)17-7-8-20-23(17)15-9-14(10-15)21-19(25)16-11-18(26-22-16)13-5-3-2-4-6-13/h2-8,11-12,14-15,24H,9-10H2,1H3,(H,21,25)/t12-,14?,15?/m0/s1
InChIKeyBUSKWMCVQLGDBU-GRTSSRMGSA-N
MW352.39 g/mol
LogP2.72
Rot. Bonds5

About N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118608880) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118608880
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1ccnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H20N4O3/c1-12(24)17-7-8-20-23(17)15-9-14(10-15)21-19(25)16-11-18(26-22-16)13-5-3-2-4-6-13/h2-8,11-12,14-15,24H,9-10H2,1H3,(H,21,25)/t12-,14?,15?/m0/s1
InChIKeyBUSKWMCVQLGDBU-GRTSSRMGSA-N
XLogP2.72
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608781
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-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327562
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol
CID 158488004
N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608760
N-[3-(3-oxomorpholin-4-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615452
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118608880) is N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@H](O)c1ccnn1C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BUSKWMCVQLGDBU-GRTSSRMGSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(24)17-7-8-20-23(17)15-9-14(10-15)21-19(25)16-11-18(26-22-16)13-5-3-2-4-6-13/h2-8,11-12,14-15,24H,9-10H2,1H3,(H,21,25)/t12-,14?,15?/m0/s1.
What are the key properties of N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).