3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one

C16H26N4O2 — CID 126819950

IUPAC3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCNC3CC3)CC2)oc1C
InChIInChI=1S/C16H26N4O2/c1-12-13(2)22-15(18-12)11-19-7-9-20(10-8-19)16(21)5-6-17-14-3-4-14/h14,17H,3-11H2,1-2H3
InChIKeyIGIHQNLYIQUZDH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.08
Rot. Bonds6

About 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one

3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 126819950) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID126819950
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCNC3CC3)CC2)oc1C
InChIInChI=1S/C16H26N4O2/c1-12-13(2)22-15(18-12)11-19-7-9-20(10-8-19)16(21)5-6-17-14-3-4-14/h14,17H,3-11H2,1-2H3
InChIKeyIGIHQNLYIQUZDH-UHFFFAOYSA-N
XLogP1.08
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
CID 114180493
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95303806
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784
3-(3-but-3-ynyldiazirin-3-yl)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 154769464
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 124697297
3-(cyclopropylamino)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 60945653
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
CID 60972700
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 126782606
4-acetyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119159287
(E)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 98479498

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one (CID 126819950) is 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nc(CN2CCN(C(=O)CCNC3CC3)CC2)oc1C.
What is the InChIKey of 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is IGIHQNLYIQUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-13(2)22-15(18-12)11-19-7-9-20(10-8-19)16(21)5-6-17-14-3-4-14/h14,17H,3-11H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 126819950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).