1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea

C18H25N5O2 — CID 120852189

IUPAC1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C18H25N5O2/c1-12(2)21-17(24)20-11-13-5-7-14(8-6-13)15-22-16(23-25-15)18(19)9-3-4-10-18/h5-8,12H,3-4,9-11,19H2,1-2H3,(H2,20,21,24)
InChIKeyCIAKWVCOHXFCKJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.67
Rot. Bonds5

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

1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea (PubChem CID 120852189) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
PubChem CID120852189
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C18H25N5O2/c1-12(2)21-17(24)20-11-13-5-7-14(8-6-13)15-22-16(23-25-15)18(19)9-3-4-10-18/h5-8,12H,3-4,9-11,19H2,1-2H3,(H2,20,21,24)
InChIKeyCIAKWVCOHXFCKJ-UHFFFAOYSA-N
XLogP2.67
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120893284
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
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-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;hydrochloride
CID 120857240
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea (CID 120852189) is 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea?
The InChIKey is CIAKWVCOHXFCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)21-17(24)20-11-13-5-7-14(8-6-13)15-22-16(23-25-15)18(19)9-3-4-10-18/h5-8,12H,3-4,9-11,19H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea?
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea has a molecular weight of 343.43 g/mol, XLogP of 2.67, 5 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]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 120852189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).