1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

C13H17N5O2 — CID 47434466

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)Nc2ccc(N(C)C)nc2)oc1C
InChIInChI=1S/C13H17N5O2/c1-8-9(2)20-13(15-8)17-12(19)16-10-5-6-11(14-7-10)18(3)4/h5-7H,1-4H3,(H2,15,16,17,19)
InChIKeyGCMKMXIYBMIJNR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.40
Rot. Bonds3

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (PubChem CID 47434466) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
PubChem CID47434466
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)Nc2ccc(N(C)C)nc2)oc1C
InChIInChI=1S/C13H17N5O2/c1-8-9(2)20-13(15-8)17-12(19)16-10-5-6-11(14-7-10)18(3)4/h5-7H,1-4H3,(H2,15,16,17,19)
InChIKeyGCMKMXIYBMIJNR-UHFFFAOYSA-N
XLogP2.40
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (CID 47434466) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is Cc1nc(NC(=O)Nc2ccc(N(C)C)nc2)oc1C.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The InChIKey is GCMKMXIYBMIJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-9(2)20-13(15-8)17-12(19)16-10-5-6-11(14-7-10)18(3)4/h5-7H,1-4H3,(H2,15,16,17,19).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 47434466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).