N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine

C14H17N3O — CID 79731406

IUPACN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nc(-c2ccc(NC3CCNC3)cc2)co1
InChIInChI=1S/C14H17N3O/c1-10-16-14(9-18-10)11-2-4-12(5-3-11)17-13-6-7-15-8-13/h2-5,9,13,15,17H,6-8H2,1H3
InChIKeyRMHGPLUXCYKLSV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine

N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine (PubChem CID 79731406) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
PubChem CID79731406
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nc(-c2ccc(NC3CCNC3)cc2)co1
InChIInChI=1S/C14H17N3O/c1-10-16-14(9-18-10)11-2-4-12(5-3-11)17-13-6-7-15-8-13/h2-5,9,13,15,17H,6-8H2,1H3
InChIKeyRMHGPLUXCYKLSV-UHFFFAOYSA-N
XLogP2.42
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidin-4-amine
CID 54902966
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 64734169
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 79836557
4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724946
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine
CID 79731313
1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
CID 75403294

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine (CID 79731406) is N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine is Cc1nc(-c2ccc(NC3CCNC3)cc2)co1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine?
The InChIKey is RMHGPLUXCYKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-16-14(9-18-10)11-2-4-12(5-3-11)17-13-6-7-15-8-13/h2-5,9,13,15,17H,6-8H2,1H3.
What are the key properties of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine?
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 79731406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).