N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C22H25FN4O3 — CID 171140599

IUPACN-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCC1CCc2onc(C(=O)Nc3cnn(Cc4cc(F)ccc4OC)c3)c2C1
InChIInChI=1S/C22H25FN4O3/c1-3-4-14-5-7-20-18(9-14)21(26-30-20)22(28)25-17-11-24-27(13-17)12-15-10-16(23)6-8-19(15)29-2/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H,25,28)
InChIKeyQXGUMBMJUQSRNI-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.22
Rot. Bonds7

About N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 171140599) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID171140599
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCC1CCc2onc(C(=O)Nc3cnn(Cc4cc(F)ccc4OC)c3)c2C1
InChIInChI=1S/C22H25FN4O3/c1-3-4-14-5-7-20-18(9-14)21(26-30-20)22(28)25-17-11-24-27(13-17)12-15-10-16(23)6-8-19(15)29-2/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H,25,28)
InChIKeyQXGUMBMJUQSRNI-UHFFFAOYSA-N
XLogP4.22
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide 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

N-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 171140598
5-propyl-N-[1-[(3-sulfamoylphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 171140699
N-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 171140753
N-[1-[(3-chloro-4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 171140757
5-tert-butyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19338126
5-methyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19408025
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5093515
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19404079
N-(1-benzylpyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19397570
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24827282
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253431

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 171140599) is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CCCC1CCc2onc(C(=O)Nc3cnn(Cc4cc(F)ccc4OC)c3)c2C1.
What is the InChIKey of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is QXGUMBMJUQSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-3-4-14-5-7-20-18(9-14)21(26-30-20)22(28)25-17-11-24-27(13-17)12-15-10-16(23)6-8-19(15)29-2/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]-5-propyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 171140599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).