N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C16H15N5O2 — CID 75373131

IUPACN-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(-c3ccc4c(c3)CCC4)n2)no1
InChIInChI=1S/C16H15N5O2/c1-9-7-13(21-23-9)15(22)18-16-17-14(19-20-16)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19,20,22)
InChIKeyBDWJHUSQCMDVJE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.51
Rot. Bonds3

About N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 75373131) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID75373131
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(-c3ccc4c(c3)CCC4)n2)no1
InChIInChI=1S/C16H15N5O2/c1-9-7-13(21-23-9)15(22)18-16-17-14(19-20-16)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19,20,22)
InChIKeyBDWJHUSQCMDVJE-UHFFFAOYSA-N
XLogP2.51
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
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CID 9247075
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016
N-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 55168760
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CID 30663891
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112766234
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
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5-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 75373131) is N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2n[nH]c(-c3ccc4c(c3)CCC4)n2)no1.
What is the InChIKey of N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BDWJHUSQCMDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9-7-13(21-23-9)15(22)18-16-17-14(19-20-16)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19,20,22).
What are the key properties of N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75373131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).