3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide

C14H24N2O3 — CID 96996290

IUPAC3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC[C@@H](O)C(CC)CC
InChIInChI=1S/C14H24N2O3/c1-5-10(6-2)12(17)8-15-14(18)13-9(4)19-16-11(13)7-3/h10,12,17H,5-8H2,1-4H3,(H,15,18)/t12-/m1/s1
InChIKeyQBJISYYCTQANFT-GFCCVEGCSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds7

About 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 96996290) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID96996290
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC[C@@H](O)C(CC)CC
InChIInChI=1S/C14H24N2O3/c1-5-10(6-2)12(17)8-15-14(18)13-9(4)19-16-11(13)7-3/h10,12,17H,5-8H2,1-4H3,(H,15,18)/t12-/m1/s1
InChIKeyQBJISYYCTQANFT-GFCCVEGCSA-N
XLogP2.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103820655
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059
3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 66179726
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97059016
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 96996290) is 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC[C@@H](O)C(CC)CC.
What is the InChIKey of 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QBJISYYCTQANFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-10(6-2)12(17)8-15-14(18)13-9(4)19-16-11(13)7-3/h10,12,17H,5-8H2,1-4H3,(H,15,18)/t12-/m1/s1.
What are the key properties of 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 96996290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).