N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H18N4O2 — CID 155955156

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3CCc4ccccc43)C2)cn1
InChIInChI=1S/C17H18N4O2/c1-21-10-12(9-18-21)15-8-16(23-20-15)17(22)19-14-7-6-11-4-2-3-5-13(11)14/h2-5,9-10,14,16H,6-8H2,1H3,(H,19,22)
InChIKeyZBIQKRDZLPURRM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.72
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155955156) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155955156
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3CCc4ccccc43)C2)cn1
InChIInChI=1S/C17H18N4O2/c1-21-10-12(9-18-21)15-8-16(23-20-15)17(22)19-14-7-6-11-4-2-3-5-13(11)14/h2-5,9-10,14,16H,6-8H2,1H3,(H,19,22)
InChIKeyZBIQKRDZLPURRM-UHFFFAOYSA-N
XLogP1.72
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(5S)-3-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
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1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155955156) is N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1cc(C2=NOC(C(=O)NC3CCc4ccccc43)C2)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZBIQKRDZLPURRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-10-12(9-18-21)15-8-16(23-20-15)17(22)19-14-7-6-11-4-2-3-5-13(11)14/h2-5,9-10,14,16H,6-8H2,1H3,(H,19,22).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155955156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).