3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one

C16H26N2O3 — CID 58297196

IUPAC3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)(NCC1CC1)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H26N2O3/c1-15(2,10-19)13-7-12(21-18-13)8-14(20)16(3,4)17-9-11-5-6-11/h7,11,17,19H,5-6,8-10H2,1-4H3
InChIKeyAGAOWVOPGKDHFY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.83
Rot. Bonds8

About 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one

3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one (PubChem CID 58297196) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
PubChem CID58297196
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)(NCC1CC1)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H26N2O3/c1-15(2,10-19)13-7-12(21-18-13)8-14(20)16(3,4)17-9-11-5-6-11/h7,11,17,19H,5-6,8-10H2,1-4H3
InChIKeyAGAOWVOPGKDHFY-UHFFFAOYSA-N
XLogP1.83
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The IUPAC name of 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one (CID 58297196) is 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one.
What is the SMILES notation for 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The canonical SMILES for 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one is CC(C)(NCC1CC1)C(=O)Cc1cc(C(C)(C)CO)no1.
What is the InChIKey of 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The InChIKey is AGAOWVOPGKDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2,10-19)13-7-12(21-18-13)8-14(20)16(3,4)17-9-11-5-6-11/h7,11,17,19H,5-6,8-10H2,1-4H3.
What are the key properties of 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one has a molecular weight of 294.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one is sourced from PubChem (CID 58297196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).