N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide

C11H18N2O2 — CID 110684952

IUPACN-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-8(4)13-11(14)10-9(7(2)3)12-6-15-10/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyGAUBERCMPXXWMF-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.33
Rot. Bonds4

About N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684952) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684952
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-8(4)13-11(14)10-9(7(2)3)12-6-15-10/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyGAUBERCMPXXWMF-UHFFFAOYSA-N
XLogP2.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
4-amino-N-butan-2-ylbenzamide
CID 3503917
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 83567628
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
CID 123972436

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684952) is N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide is CCC(C)NC(=O)c1ocnc1C(C)C.
What is the InChIKey of N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is GAUBERCMPXXWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-8(4)13-11(14)10-9(7(2)3)12-6-15-10/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).