(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide

C16H26N2O3 — CID 95981405

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(C(C)C)C1CCOCC1
InChIInChI=1S/C16H26N2O3/c1-10(2)18(14-6-8-20-9-7-14)16(19)11(3)15-12(4)17-21-13(15)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyKHIQBKYOBIDZOC-NSHDSACASA-N
MW294.40 g/mol
LogP2.81
Rot. Bonds4

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide (PubChem CID 95981405) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide
PubChem CID95981405
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(C(C)C)C1CCOCC1
InChIInChI=1S/C16H26N2O3/c1-10(2)18(14-6-8-20-9-7-14)16(19)11(3)15-12(4)17-21-13(15)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyKHIQBKYOBIDZOC-NSHDSACASA-N
XLogP2.81
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide (CID 95981405) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide is Cc1noc(C)c1[C@H](C)C(=O)N(C(C)C)C1CCOCC1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide?
The InChIKey is KHIQBKYOBIDZOC-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)18(14-6-8-20-9-7-14)16(19)11(3)15-12(4)17-21-13(15)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 95981405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).