1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea

C20H21N5O2 — CID 120856143

IUPAC1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
SMILESNC1(c2noc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)CCCC1
InChIInChI=1S/C20H21N5O2/c21-20(12-4-5-13-20)18-24-17(27-25-18)14-8-10-16(11-9-14)23-19(26)22-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13,21H2,(H2,22,23,26)
InChIKeyHBWLFUCESGXPLG-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.11
Rot. Bonds4

About 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea

1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea (PubChem CID 120856143) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
PubChem CID120856143
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
SMILESNC1(c2noc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)CCCC1
InChIInChI=1S/C20H21N5O2/c21-20(12-4-5-13-20)18-24-17(27-25-18)14-8-10-16(11-9-14)23-19(26)22-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13,21H2,(H2,22,23,26)
InChIKeyHBWLFUCESGXPLG-UHFFFAOYSA-N
XLogP4.11
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120855084
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
CID 120856445
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea
CID 120856446
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
CID 120852189
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea (CID 120856143) is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea is NC1(c2noc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)CCCC1.
What is the InChIKey of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea?
The InChIKey is HBWLFUCESGXPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-20(12-4-5-13-20)18-24-17(27-25-18)14-8-10-16(11-9-14)23-19(26)22-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13,21H2,(H2,22,23,26).
What are the key properties of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea?
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea has a molecular weight of 363.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 120856143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).