[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone

C17H26N2O2 — CID 124841835

IUPAC[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
SMILESCC(C)[C@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-6-4-3-5-9-19(15)17(20)14-11-21-16(18-14)10-13-7-8-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyBEAXYPLFKOTYFL-OAHLLOKOSA-N
MW290.41 g/mol
LogP3.67
Rot. Bonds4

About [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone

[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone (PubChem CID 124841835) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
PubChem CID124841835
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
SMILESCC(C)[C@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-6-4-3-5-9-19(15)17(20)14-11-21-16(18-14)10-13-7-8-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyBEAXYPLFKOTYFL-OAHLLOKOSA-N
XLogP3.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone?
The IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone (CID 124841835) is [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone is CC(C)[C@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1.
What is the InChIKey of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone?
The InChIKey is BEAXYPLFKOTYFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15-6-4-3-5-9-19(15)17(20)14-11-21-16(18-14)10-13-7-8-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone?
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone is sourced from PubChem (CID 124841835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).