(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide

C13H20N2O3 — CID 126434861

IUPAC(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
SMILESCCO[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1
InChIInChI=1S/C13H20N2O3/c1-4-17-9(2)13(16)15(3)8-11-7-12(18-14-11)10-5-6-10/h7,9-10H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyKHUQKDUUHXXQSI-SECBINFHSA-N
MW252.31 g/mol
LogP1.94
Rot. Bonds6

About (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide

(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide (PubChem CID 126434861) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
PubChem CID126434861
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
SMILESCCO[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1
InChIInChI=1S/C13H20N2O3/c1-4-17-9(2)13(16)15(3)8-11-7-12(18-14-11)10-5-6-10/h7,9-10H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyKHUQKDUUHXXQSI-SECBINFHSA-N
XLogP1.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide?
The IUPAC name of (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide (CID 126434861) is (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide?
The canonical SMILES for (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide is CCO[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1.
What is the InChIKey of (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide?
The InChIKey is KHUQKDUUHXXQSI-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-9(2)13(16)15(3)8-11-7-12(18-14-11)10-5-6-10/h7,9-10H,4-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide?
(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide is sourced from PubChem (CID 126434861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).