(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride

C15H23ClN4O3 — CID 119331106

IUPAC(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
SMILESCc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-8(16)15(20)19(6-13-9(2)17-21-11(13)4)7-14-10(3)18-22-12(14)5;/h8H,6-7,16H2,1-5H3;1H/t8-;/m1./s1
InChIKeyUCFKEQSAFWPNQN-DDWIOCJRSA-N
MW342.83 g/mol
LogP2.19
Rot. Bonds5

About (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119331106) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
PubChem CID119331106
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
SMILESCc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-8(16)15(20)19(6-13-9(2)17-21-11(13)4)7-14-10(3)18-22-12(14)5;/h8H,6-7,16H2,1-5H3;1H/t8-;/m1./s1
InChIKeyUCFKEQSAFWPNQN-DDWIOCJRSA-N
XLogP2.19
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 96603384
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
CID 170892789
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 43574032
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride (CID 119331106) is (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride is Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is UCFKEQSAFWPNQN-DDWIOCJRSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-8(16)15(20)19(6-13-9(2)17-21-11(13)4)7-14-10(3)18-22-12(14)5;/h8H,6-7,16H2,1-5H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).