N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate

C8H10N3O4- — CID 21297353

IUPACN-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
SMILESCc1cc(C(=O)NCCNC(=O)[O-])no1
InChIInChI=1S/C8H11N3O4/c1-5-4-6(11-15-5)7(12)9-2-3-10-8(13)14/h4,10H,2-3H2,1H3,(H,9,12)(H,13,14)/p-1
InChIKeyUQHRATYIFGVPKS-UHFFFAOYSA-M
MW212.18 g/mol
LogP-1.35
Rot. Bonds4

About N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate

N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate (PubChem CID 21297353) has the molecular formula C8H10N3O4- and a molecular weight of 212.18 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
PubChem CID21297353
Molecular FormulaC8H10N3O4-
Molecular Weight212.18 g/mol
Exact Mass212.07
IUPAC NameN-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
SMILESCc1cc(C(=O)NCCNC(=O)[O-])no1
InChIInChI=1S/C8H11N3O4/c1-5-4-6(11-15-5)7(12)9-2-3-10-8(13)14/h4,10H,2-3H2,1H3,(H,9,12)(H,13,14)/p-1
InChIKeyUQHRATYIFGVPKS-UHFFFAOYSA-M
XLogP-1.35
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 9278708
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572189
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106306919

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate (CID 21297353) is N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate is Cc1cc(C(=O)NCCNC(=O)[O-])no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is UQHRATYIFGVPKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N3O4/c1-5-4-6(11-15-5)7(12)9-2-3-10-8(13)14/h4,10H,2-3H2,1H3,(H,9,12)(H,13,14)/p-1.
What are the key properties of N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 212.18 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 21297353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).