N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine

C16H18N4O2 — CID 128992031

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCc1c([C@H]2OCC[C@@H]2Nc2nc3ccccc3o2)cnn1C
InChIInChI=1S/C16H18N4O2/c1-10-11(9-17-20(10)2)15-13(7-8-21-15)19-16-18-12-5-3-4-6-14(12)22-16/h3-6,9,13,15H,7-8H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyWNWUPATYRHXZSG-DZGCQCFKSA-N
MW298.35 g/mol
LogP2.81
Rot. Bonds3

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine (PubChem CID 128992031) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
PubChem CID128992031
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCc1c([C@H]2OCC[C@@H]2Nc2nc3ccccc3o2)cnn1C
InChIInChI=1S/C16H18N4O2/c1-10-11(9-17-20(10)2)15-13(7-8-21-15)19-16-18-12-5-3-4-6-14(12)22-16/h3-6,9,13,15H,7-8H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyWNWUPATYRHXZSG-DZGCQCFKSA-N
XLogP2.81
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine (CID 128992031) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine is Cc1c([C@H]2OCC[C@@H]2Nc2nc3ccccc3o2)cnn1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WNWUPATYRHXZSG-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-11(9-17-20(10)2)15-13(7-8-21-15)19-16-18-12-5-3-4-6-14(12)22-16/h3-6,9,13,15H,7-8H2,1-2H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).