1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine

C16H22N4O2 — CID 71934601

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(C)c1CNC1(c2noc(C3CC3)n2)CCCC1
InChIInChI=1S/C16H22N4O2/c1-10-13(11(2)21-19-10)9-17-16(7-3-4-8-16)15-18-14(22-20-15)12-5-6-12/h12,17H,3-9H2,1-2H3
InChIKeyOKGWQFIZWGOKSB-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.11
Rot. Bonds5

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 71934601) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID71934601
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(C)c1CNC1(c2noc(C3CC3)n2)CCCC1
InChIInChI=1S/C16H22N4O2/c1-10-13(11(2)21-19-10)9-17-16(7-3-4-8-16)15-18-14(22-20-15)12-5-6-12/h12,17H,3-9H2,1-2H3
InChIKeyOKGWQFIZWGOKSB-UHFFFAOYSA-N
XLogP3.11
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817757
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
CID 99818745
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62551641
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
CID 99819658
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424917
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912372
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746062
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
CID 56819906
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine (CID 71934601) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine is Cc1noc(C)c1CNC1(c2noc(C3CC3)n2)CCCC1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is OKGWQFIZWGOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-13(11(2)21-19-10)9-17-16(7-3-4-8-16)15-18-14(22-20-15)12-5-6-12/h12,17H,3-9H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 302.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 71934601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).