N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C15H15FN4O2 — CID 122141703

IUPACN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2nc3cc(F)ccc3o2)cn1
InChIInChI=1S/C15H15FN4O2/c1-20-9-10(7-18-20)2-5-14(21)17-8-15-19-12-6-11(16)3-4-13(12)22-15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,21)
InChIKeyORRZJQPBNSRZKR-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.95
Rot. Bonds5

About N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 122141703) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID122141703
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2nc3cc(F)ccc3o2)cn1
InChIInChI=1S/C15H15FN4O2/c1-20-9-10(7-18-20)2-5-14(21)17-8-15-19-12-6-11(16)3-4-13(12)22-15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,21)
InChIKeyORRZJQPBNSRZKR-UHFFFAOYSA-N
XLogP1.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 47062111

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 122141703) is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCc2nc3cc(F)ccc3o2)cn1.
What is the InChIKey of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ORRZJQPBNSRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-20-9-10(7-18-20)2-5-14(21)17-8-15-19-12-6-11(16)3-4-13(12)22-15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,21).
What are the key properties of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 302.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 122141703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).