N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine

C15H19ClN4O — CID 97209978

IUPACN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCC2)o1
InChIInChI=1S/C15H19ClN4O/c1-11-18-19-15(21-11)17-10-14(20-8-2-3-9-20)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyOXDCJWGVYJXIMT-AWEZNQCLSA-N
MW306.80 g/mol
LogP3.28
Rot. Bonds5

About N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 97209978) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID97209978
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCC2)o1
InChIInChI=1S/C15H19ClN4O/c1-11-18-19-15(21-11)17-10-14(20-8-2-3-9-20)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyOXDCJWGVYJXIMT-AWEZNQCLSA-N
XLogP3.28
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137345383
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97206560
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
CID 71883513
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 125167167
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 97209978) is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCC2)o1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OXDCJWGVYJXIMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-18-19-15(21-11)17-10-14(20-8-2-3-9-20)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97209978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).