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

C21H18N4O2 — CID 10155316

IUPACN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)C1CCC1
InChIInChI=1S/C21H18N4O2/c26-20(14-4-3-5-14)23-15-10-8-13(9-11-15)19-16(12-22-25-19)21-24-17-6-1-2-7-18(17)27-21/h1-2,6-12,14H,3-5H2,(H,22,25)(H,23,26)
InChIKeyNEJVRHWFSFUJDN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.62
Rot. Bonds4

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

N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide (PubChem CID 10155316) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
PubChem CID10155316
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)C1CCC1
InChIInChI=1S/C21H18N4O2/c26-20(14-4-3-5-14)23-15-10-8-13(9-11-15)19-16(12-22-25-19)21-24-17-6-1-2-7-18(17)27-21/h1-2,6-12,14H,3-5H2,(H,22,25)(H,23,26)
InChIKeyNEJVRHWFSFUJDN-UHFFFAOYSA-N
XLogP4.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide
CID 670552
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55493015
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
N-[3-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907622
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 131944662
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
CID 45223847

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide (CID 10155316) is N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(-c2[nH]ncc2-c2nc3ccccc3o2)cc1)C1CCC1.
What is the InChIKey of N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is NEJVRHWFSFUJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20(14-4-3-5-14)23-15-10-8-13(9-11-15)19-16(12-22-25-19)21-24-17-6-1-2-7-18(17)27-21/h1-2,6-12,14H,3-5H2,(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]cyclobutanecarboxamide?
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 10155316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).