(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide

C14H22N2O3 — CID 97314591

IUPAC(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H](C)OCC1CC1
InChIInChI=1S/C14H22N2O3/c1-9-13(10(2)19-15-9)7-16(4)14(17)11(3)18-8-12-5-6-12/h11-12H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyHLSWZMBDQFAUDS-NSHDSACASA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds6

About (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide

(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 97314591) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
PubChem CID97314591
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H](C)OCC1CC1
InChIInChI=1S/C14H22N2O3/c1-9-13(10(2)19-15-9)7-16(4)14(17)11(3)18-8-12-5-6-12/h11-12H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyHLSWZMBDQFAUDS-NSHDSACASA-N
XLogP2.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide (CID 97314591) is (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide is Cc1noc(C)c1CN(C)C(=O)[C@H](C)OCC1CC1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is HLSWZMBDQFAUDS-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-13(10(2)19-15-9)7-16(4)14(17)11(3)18-8-12-5-6-12/h11-12H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 97314591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).