N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide

C13H21N5O3 — CID 46653776

IUPACN-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(N)=O)CC2)on1
InChIInChI=1S/C13H21N5O3/c1-9-7-11(21-16-9)8-17-3-5-18(6-4-17)10(2)12(19)15-13(14)20/h7,10H,3-6,8H2,1-2H3,(H3,14,15,19,20)
InChIKeyHKFVZACTMQKUNA-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.32
Rot. Bonds4

About N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide

N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 46653776) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
PubChem CID46653776
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(N)=O)CC2)on1
InChIInChI=1S/C13H21N5O3/c1-9-7-11(21-16-9)8-17-3-5-18(6-4-17)10(2)12(19)15-13(14)20/h7,10H,3-6,8H2,1-2H3,(H3,14,15,19,20)
InChIKeyHKFVZACTMQKUNA-UHFFFAOYSA-N
XLogP-0.32
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 86916000
N-cyclopentyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 127883228
N-(4-methylcyclohexyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 86919305
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
CID 46527637
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
(2S)-N-(ethylcarbamoyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30152167

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide (CID 46653776) is N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide is Cc1cc(CN2CCN(C(C)C(=O)NC(N)=O)CC2)on1.
What is the InChIKey of N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is HKFVZACTMQKUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9-7-11(21-16-9)8-17-3-5-18(6-4-17)10(2)12(19)15-13(14)20/h7,10H,3-6,8H2,1-2H3,(H3,14,15,19,20).
What are the key properties of N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide?
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 295.34 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46653776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).