1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea

C20H23N5O3 — CID 72841300

IUPAC1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea
SMILESCC(C)c1nc(CCN(C)C(=O)Nc2ccccc2Oc2cccnc2)no1
InChIInChI=1S/C20H23N5O3/c1-14(2)19-23-18(24-28-19)10-12-25(3)20(26)22-16-8-4-5-9-17(16)27-15-7-6-11-21-13-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,26)
InChIKeyDWWCUMULBMQZIJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.09
Rot. Bonds7

About 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea

1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea (PubChem CID 72841300) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea
PubChem CID72841300
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea
SMILESCC(C)c1nc(CCN(C)C(=O)Nc2ccccc2Oc2cccnc2)no1
InChIInChI=1S/C20H23N5O3/c1-14(2)19-23-18(24-28-19)10-12-25(3)20(26)22-16-8-4-5-9-17(16)27-15-7-6-11-21-13-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,26)
InChIKeyDWWCUMULBMQZIJ-UHFFFAOYSA-N
XLogP4.09
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(2-methylphenyl)-1-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055250
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536
3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 72902706
1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755322
(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91840785
2-cyano-N-(2-pyridin-3-yloxyphenyl)acetamide
CID 168521073
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
N-(2-methoxyethyl)-4-[3-[2-[(2-methoxyphenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 50826932
N-(2-phenoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100763240
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 126439974

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea (CID 72841300) is 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea is CC(C)c1nc(CCN(C)C(=O)Nc2ccccc2Oc2cccnc2)no1.
What is the InChIKey of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea?
The InChIKey is DWWCUMULBMQZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14(2)19-23-18(24-28-19)10-12-25(3)20(26)22-16-8-4-5-9-17(16)27-15-7-6-11-21-13-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,26).
What are the key properties of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea?
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea has a molecular weight of 381.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 72841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).