(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C7H9ClN2O2 — CID 40953774

IUPAC(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Cl)on1
InChIInChI=1S/C7H9ClN2O2/c1-4-3-6(12-10-4)9-7(11)5(2)8/h3,5H,1-2H3,(H,9,11)/t5-/m1/s1
InChIKeyDMJOCQUVYRWOHI-RXMQYKEDSA-N
MW188.61 g/mol
LogP1.55
Rot. Bonds2

About (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 40953774) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID40953774
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Cl)on1
InChIInChI=1S/C7H9ClN2O2/c1-4-3-6(12-10-4)9-7(11)5(2)8/h3,5H,1-2H3,(H,9,11)/t5-/m1/s1
InChIKeyDMJOCQUVYRWOHI-RXMQYKEDSA-N
XLogP1.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842879
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47028191
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
(E)-4-[(3-methyl-1,2-oxazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 65486420
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 40953774) is (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Cl)on1.
What is the InChIKey of (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is DMJOCQUVYRWOHI-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-3-6(12-10-4)9-7(11)5(2)8/h3,5H,1-2H3,(H,9,11)/t5-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 188.61 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 40953774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).