N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

C19H23N5O3 — CID 126541266

IUPACN-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)C1=CNNN1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H23N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,20,23,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1
InChIKeyNJTIEWHYWTXQSL-DNOWBOINSA-N
MW369.43 g/mol
LogP1.40
Rot. Bonds6

About N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 126541266) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID126541266
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)C1=CNNN1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H23N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,20,23,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1
InChIKeyNJTIEWHYWTXQSL-DNOWBOINSA-N
XLogP1.40
TPSA102.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 126541266) is N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is C[C@@H](O)C1=CNNN1CC1CC(NC(=O)c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is NJTIEWHYWTXQSL-DNOWBOINSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(25)17-10-20-23-24(17)11-13-7-15(8-13)21-19(26)18-9-16(22-27-18)14-5-3-2-4-6-14/h2-6,9-10,12-13,15,20,23,25H,7-8,11H2,1H3,(H,21,26)/t12-,13?,15?/m1/s1.
What are the key properties of N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126541266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).