1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea

C12H15ClN6O2 — CID 138047048

IUPAC1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea
SMILESCN(C)c1cc(NC(=O)NCc2nnc(N)o2)ccc1Cl
InChIInChI=1S/C12H15ClN6O2/c1-19(2)9-5-7(3-4-8(9)13)16-12(20)15-6-10-17-18-11(14)21-10/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16,20)
InChIKeyNZIMYRSHIGBBOJ-UHFFFAOYSA-N
MW310.75 g/mol
LogP1.69
Rot. Bonds4

About 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea

1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea (PubChem CID 138047048) has the molecular formula C12H15ClN6O2 and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea
PubChem CID138047048
Molecular FormulaC12H15ClN6O2
Molecular Weight310.75 g/mol
Exact Mass310.09
IUPAC Name1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea
SMILESCN(C)c1cc(NC(=O)NCc2nnc(N)o2)ccc1Cl
InChIInChI=1S/C12H15ClN6O2/c1-19(2)9-5-7(3-4-8(9)13)16-12(20)15-6-10-17-18-11(14)21-10/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16,20)
InChIKeyNZIMYRSHIGBBOJ-UHFFFAOYSA-N
XLogP1.69
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118782846
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 122194201
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea?
The IUPAC name of 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea (CID 138047048) is 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea is CN(C)c1cc(NC(=O)NCc2nnc(N)o2)ccc1Cl.
What is the InChIKey of 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea?
The InChIKey is NZIMYRSHIGBBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2/c1-19(2)9-5-7(3-4-8(9)13)16-12(20)15-6-10-17-18-11(14)21-10/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16,20).
What are the key properties of 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea?
1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea has a molecular weight of 310.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-3-[4-chloro-3-(dimethylamino)phenyl]urea is sourced from PubChem (CID 138047048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).