2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine

C15H20N4O — CID 79882327

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCN(CC4CC4)CC3)nc12
InChIInChI=1S/C15H20N4O/c16-12-2-1-3-13-14(12)17-15(20-13)19-8-6-18(7-9-19)10-11-4-5-11/h1-3,11H,4-10,16H2
InChIKeyWPSFGKZWGPTRLQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds3

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine (PubChem CID 79882327) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
PubChem CID79882327
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCN(CC4CC4)CC3)nc12
InChIInChI=1S/C15H20N4O/c16-12-2-1-3-13-14(12)17-15(20-13)19-8-6-18(7-9-19)10-11-4-5-11/h1-3,11H,4-10,16H2
InChIKeyWPSFGKZWGPTRLQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-yl-1,3-benzoxazol-4-amine
CID 79890379
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893265
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79890454
4-(4-amino-1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888293
2-N-[(1-methylpiperidin-2-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892704
2-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892559
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine (CID 79882327) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine is Nc1cccc2oc(N3CCN(CC4CC4)CC3)nc12.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine?
The InChIKey is WPSFGKZWGPTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-12-2-1-3-13-14(12)17-15(20-13)19-8-6-18(7-9-19)10-11-4-5-11/h1-3,11H,4-10,16H2.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine has a molecular weight of 272.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79882327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).