N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide

C21H14N4O2S — CID 10200155

IUPACN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)c1ccsc1
InChIInChI=1S/C21H14N4O2S/c26-20(14-9-10-28-12-14)23-15-7-5-13(6-8-15)19-16(11-22-25-19)21-24-17-3-1-2-4-18(17)27-21/h1-12H,(H,22,25)(H,23,26)
InChIKeyRSUYCIUKAJBARD-UHFFFAOYSA-N
MW386.44 g/mol
LogP5.20
Rot. Bonds4

About N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide

N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide (PubChem CID 10200155) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
PubChem CID10200155
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC NameN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)c1ccsc1
InChIInChI=1S/C21H14N4O2S/c26-20(14-9-10-28-12-14)23-15-7-5-13(6-8-15)19-16(11-22-25-19)21-24-17-3-1-2-4-18(17)27-21/h1-12H,(H,22,25)(H,23,26)
InChIKeyRSUYCIUKAJBARD-UHFFFAOYSA-N
XLogP5.20
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide (CID 10200155) is N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)c1ccsc1.
What is the InChIKey of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide?
The InChIKey is RSUYCIUKAJBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c26-20(14-9-10-28-12-14)23-15-7-5-13(6-8-15)19-16(11-22-25-19)21-24-17-3-1-2-4-18(17)27-21/h1-12H,(H,22,25)(H,23,26).
What are the key properties of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide?
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10200155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).