2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine

C13H17N3O — CID 79890059

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCC1(C)CCCN1c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H17N3O/c1-13(2)6-3-7-16(13)12-15-10-8-9(14)4-5-11(10)17-12/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyVLSANTQWFDUDSN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.79
Rot. Bonds1

About 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine

2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79890059) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79890059
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCC1(C)CCCN1c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H17N3O/c1-13(2)6-3-7-16(13)12-15-10-8-9(14)4-5-11(10)17-12/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyVLSANTQWFDUDSN-UHFFFAOYSA-N
XLogP2.79
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
2-N-(1-methylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890493
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-5-amine
CID 79891210
2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 82692189
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890523
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976
4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one
CID 79892653

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine (CID 79890059) is 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine is CC1(C)CCCN1c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is VLSANTQWFDUDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)6-3-7-16(13)12-15-10-8-9(14)4-5-11(10)17-12/h4-5,8H,3,6-7,14H2,1-2H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine?
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79890059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).