(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide

C16H21N3O2 — CID 95100451

IUPAC(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCCCn1nc(CNC(=O)[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-2-8-19-15-6-4-3-5-13(15)14(18-19)10-17-16(20)12-7-9-21-11-12/h3-6,12H,2,7-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyXHGPRQMDXLMHLO-LBPRGKRZSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds5

About (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 95100451) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
PubChem CID95100451
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCCCn1nc(CNC(=O)[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-2-8-19-15-6-4-3-5-13(15)14(18-19)10-17-16(20)12-7-9-21-11-12/h3-6,12H,2,7-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyXHGPRQMDXLMHLO-LBPRGKRZSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 133111847
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
1,3-dipropylindazole
CID 174534089
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
CID 80713493
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide (CID 95100451) is (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide is CCCn1nc(CNC(=O)[C@H]2CCOC2)c2ccccc21.
What is the InChIKey of (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is XHGPRQMDXLMHLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-8-19-15-6-4-3-5-13(15)14(18-19)10-17-16(20)12-7-9-21-11-12/h3-6,12H,2,7-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95100451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).