N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H17N5O4 — CID 51964663

IUPACN-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C17H17N5O4/c1-10(18-16(24)11-7-8-26-9-11)15(23)20-17-19-14(21-22-17)12-5-3-4-6-13(12)25-2/h3-10H,1-2H3,(H,18,24)(H2,19,20,21,22,23)/t10-/m1/s1
InChIKeyJZAGBTMCJYREHZ-SNVBAGLBSA-N
MW355.35 g/mol
LogP1.83
Rot. Bonds6

About N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51964663) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51964663
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C17H17N5O4/c1-10(18-16(24)11-7-8-26-9-11)15(23)20-17-19-14(21-22-17)12-5-3-4-6-13(12)25-2/h3-10H,1-2H3,(H,18,24)(H2,19,20,21,22,23)/t10-/m1/s1
InChIKeyJZAGBTMCJYREHZ-SNVBAGLBSA-N
XLogP1.83
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51119952
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 54772185
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55851334
N-[(2R)-1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964466
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 166235076
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51964663) is N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is COc1ccccc1-c1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)n[nH]1.
What is the InChIKey of N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is JZAGBTMCJYREHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-10(18-16(24)11-7-8-26-9-11)15(23)20-17-19-14(21-22-17)12-5-3-4-6-13(12)25-2/h3-10H,1-2H3,(H,18,24)(H2,19,20,21,22,23)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51964663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).