ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate

C14H17N3O3 — CID 162478623

IUPACethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
SMILESCCOC(=O)Nc1onc(-c2cccnc2)c1C(C)C
InChIInChI=1S/C14H17N3O3/c1-4-19-14(18)16-13-11(9(2)3)12(17-20-13)10-6-5-7-15-8-10/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyDDDBGDQOAXCXKB-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.43
Rot. Bonds4

About ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate

ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate (PubChem CID 162478623) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
PubChem CID162478623
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
SMILESCCOC(=O)Nc1onc(-c2cccnc2)c1C(C)C
InChIInChI=1S/C14H17N3O3/c1-4-19-14(18)16-13-11(9(2)3)12(17-20-13)10-6-5-7-15-8-10/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyDDDBGDQOAXCXKB-UHFFFAOYSA-N
XLogP3.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
CID 102517664
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 91105288
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878355

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate (CID 162478623) is ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate is CCOC(=O)Nc1onc(-c2cccnc2)c1C(C)C.
What is the InChIKey of ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate?
The InChIKey is DDDBGDQOAXCXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-19-14(18)16-13-11(9(2)3)12(17-20-13)10-6-5-7-15-8-10/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate?
ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate has a molecular weight of 275.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate is sourced from PubChem (CID 162478623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).