N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine

C15H21N3O — CID 116906430

IUPACN,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
SMILESCc1nc2cc(C(C3CCNC3)N(C)C)ccc2o1
InChIInChI=1S/C15H21N3O/c1-10-17-13-8-11(4-5-14(13)19-10)15(18(2)3)12-6-7-16-9-12/h4-5,8,12,15-16H,6-7,9H2,1-3H3
InChIKeyJUVNTGIOCVRMCS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds3

About N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine

N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 116906430) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
PubChem CID116906430
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
SMILESCc1nc2cc(C(C3CCNC3)N(C)C)ccc2o1
InChIInChI=1S/C15H21N3O/c1-10-17-13-8-11(4-5-14(13)19-10)15(18(2)3)12-6-7-16-9-12/h4-5,8,12,15-16H,6-7,9H2,1-3H3
InChIKeyJUVNTGIOCVRMCS-UHFFFAOYSA-N
XLogP2.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
CID 116906440
5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116906426
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
2,2,2-trifluoro-N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 116914379
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116941871
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
CID 84695591
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500379
5-[1-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500384
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine (CID 116906430) is N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine is Cc1nc2cc(C(C3CCNC3)N(C)C)ccc2o1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is JUVNTGIOCVRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-17-13-8-11(4-5-14(13)19-10)15(18(2)3)12-6-7-16-9-12/h4-5,8,12,15-16H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine?
N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116906430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).