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

C20H23N5O3 — CID 124755322

IUPAC1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCC(C)Cc1noc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)cc2)n1
InChIInChI=1S/C20H23N5O3/c1-13(2)11-18-24-19(28-25-18)14(3)22-20(26)23-15-6-8-16(9-7-15)27-17-5-4-10-21-12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyQCSNCNBXRSGXGX-CQSZACIVSA-N
MW381.44 g/mol
LogP4.34
Rot. Bonds7

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

1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea (PubChem CID 124755322) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea
PubChem CID124755322
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCC(C)Cc1noc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)cc2)n1
InChIInChI=1S/C20H23N5O3/c1-13(2)11-18-24-19(28-25-18)14(3)22-20(26)23-15-6-8-16(9-7-15)27-17-5-4-10-21-12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyQCSNCNBXRSGXGX-CQSZACIVSA-N
XLogP4.34
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea
CID 72841300
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
CID 77083119
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56743859
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34273923
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
prop-2-enyl N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188366
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea
CID 122565790
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea (CID 124755322) is 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea is CC(C)Cc1noc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)cc2)n1.
What is the InChIKey of 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The InChIKey is QCSNCNBXRSGXGX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(2)11-18-24-19(28-25-18)14(3)22-20(26)23-15-6-8-16(9-7-15)27-17-5-4-10-21-12-17/h4-10,12-14H,11H2,1-3H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea?
1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea has a molecular weight of 381.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 124755322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).