N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

C12H20N2O3 — CID 54916722

IUPACN-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H20N2O3/c1-8(2)14(6-5-7-15)12(16)11-9(3)13-17-10(11)4/h8,15H,5-7H2,1-4H3
InChIKeyFFAZRJRMUKCMIA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.52
Rot. Bonds5

About N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 54916722) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID54916722
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H20N2O3/c1-8(2)14(6-5-7-15)12(16)11-9(3)13-17-10(11)4/h8,15H,5-7H2,1-4H3
InChIKeyFFAZRJRMUKCMIA-UHFFFAOYSA-N
XLogP1.52
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
CID 61039331
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797
N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 61038775
4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123112
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54916720
(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634600
N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 65152602
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (CID 54916722) is N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FFAZRJRMUKCMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)14(6-5-7-15)12(16)11-9(3)13-17-10(11)4/h8,15H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54916722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).