(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen

C18H25N3O2 — CID 176940436

IUPAC(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
SMILESCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1.[H][H]
InChIInChI=1S/C18H23N3O2.H2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17;/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
InChIKeySSSYZXWEHMYOJW-RSAXXLAASA-N
MW315.42 g/mol
LogP4.61
Rot. Bonds3

About (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen

(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen (PubChem CID 176940436) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
PubChem CID176940436
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
SMILESCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1.[H][H]
InChIInChI=1S/C18H23N3O2.H2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17;/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
InChIKeySSSYZXWEHMYOJW-RSAXXLAASA-N
XLogP4.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen?
The IUPAC name of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen (CID 176940436) is (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen is CC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1.[H][H].
What is the InChIKey of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen?
The InChIKey is SSSYZXWEHMYOJW-RSAXXLAASA-N. The full InChI is InChI=1S/C18H23N3O2.H2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17;/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen?
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen has a molecular weight of 315.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 176940436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).