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

C9H14N2O3 — CID 116656454

IUPACpropan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate
SMILESCc1noc(NC(=O)OC(C)C)c1C
InChIInChI=1S/C9H14N2O3/c1-5(2)13-9(12)10-8-6(3)7(4)11-14-8/h5H,1-4H3,(H,10,12)
InChIKeyLZFHORAVWHMNRF-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.25
Rot. Bonds2

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

propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate (PubChem CID 116656454) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate
PubChem CID116656454
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namepropan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate
SMILESCc1noc(NC(=O)OC(C)C)c1C
InChIInChI=1S/C9H14N2O3/c1-5(2)13-9(12)10-8-6(3)7(4)11-14-8/h5H,1-4H3,(H,10,12)
InChIKeyLZFHORAVWHMNRF-UHFFFAOYSA-N
XLogP2.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
CID 112617370
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
CID 80544913
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961403
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2,2-dimethylpropanamide
CID 115426793
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107375965
(2R)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65487960
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65485859
3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
CID 65480576
4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
CID 68780628
1-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)cyclobutane-1-carboxamide
CID 81169241
4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
CID 65487579

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate?
The IUPAC name of propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate (CID 116656454) is propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate?
The canonical SMILES for propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate is Cc1noc(NC(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate?
The InChIKey is LZFHORAVWHMNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)13-9(12)10-8-6(3)7(4)11-14-8/h5H,1-4H3,(H,10,12).
What are the key properties of propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate?
propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate has a molecular weight of 198.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate is sourced from PubChem (CID 116656454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).