(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide

C18H24N2O3 — CID 122577401

IUPAC(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCC(C)[C@H](C)c1cc([C@H](C)C(=O)Nc2ccc(CO)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-11(2)12(3)16-9-17(23-20-16)13(4)18(22)19-15-7-5-14(10-21)6-8-15/h5-9,11-13,21H,10H2,1-4H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyPWKGKQVUBCBAID-STQMWFEESA-N
MW316.40 g/mol
LogP3.67
Rot. Bonds6

About (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide

(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 122577401) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID122577401
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCC(C)[C@H](C)c1cc([C@H](C)C(=O)Nc2ccc(CO)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-11(2)12(3)16-9-17(23-20-16)13(4)18(22)19-15-7-5-14(10-21)6-8-15/h5-9,11-13,21H,10H2,1-4H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyPWKGKQVUBCBAID-STQMWFEESA-N
XLogP3.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 122577401) is (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide is CC(C)[C@H](C)c1cc([C@H](C)C(=O)Nc2ccc(CO)cc2)on1.
What is the InChIKey of (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is PWKGKQVUBCBAID-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(2)12(3)16-9-17(23-20-16)13(4)18(22)19-15-7-5-14(10-21)6-8-15/h5-9,11-13,21H,10H2,1-4H3,(H,19,22)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide?
(2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(hydroxymethyl)phenyl]-2-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 122577401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).