(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide

C20H26N2O3 — CID 95280776

IUPAC(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(C)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H26N2O3/c1-15(24-14-16-10-11-16)20(23)22(2)12-6-9-18-13-19(21-25-18)17-7-4-3-5-8-17/h3-5,7-8,13,15-16H,6,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyNGTGGVZENCIUBD-HNNXBMFYSA-N
MW342.44 g/mol
LogP3.55
Rot. Bonds9

About (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide (PubChem CID 95280776) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
PubChem CID95280776
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(C)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H26N2O3/c1-15(24-14-16-10-11-16)20(23)22(2)12-6-9-18-13-19(21-25-18)17-7-4-3-5-8-17/h3-5,7-8,13,15-16H,6,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyNGTGGVZENCIUBD-HNNXBMFYSA-N
XLogP3.55
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.55
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-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide (CID 95280776) is (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide is C[C@H](OCC1CC1)C(=O)N(C)CCCc1cc(-c2ccccc2)no1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide?
The InChIKey is NGTGGVZENCIUBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(24-14-16-10-11-16)20(23)22(2)12-6-9-18-13-19(21-25-18)17-7-4-3-5-8-17/h3-5,7-8,13,15-16H,6,9-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide is sourced from PubChem (CID 95280776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).