2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea

C22H23N5O5 — CID 91237321

IUPAC2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-c2nc(C(N=O)C3CC3)oc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C22H23N5O5/c1-30-17-9-6-15(12-25-17)18-20(32-21(26-18)19(27-29)13-2-3-13)14-4-7-16(8-5-14)31-11-10-24-22(23)28/h4-9,12-13,19H,2-3,10-11H2,1H3,(H3,23,24,28)
InChIKeySFWQELBXYBWCQV-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.68
Rot. Bonds10

About 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea

2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea (PubChem CID 91237321) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea.

Molecular Properties

Compound Name2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea
PubChem CID91237321
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-c2nc(C(N=O)C3CC3)oc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C22H23N5O5/c1-30-17-9-6-15(12-25-17)18-20(32-21(26-18)19(27-29)13-2-3-13)14-4-7-16(8-5-14)31-11-10-24-22(23)28/h4-9,12-13,19H,2-3,10-11H2,1H3,(H3,23,24,28)
InChIKeySFWQELBXYBWCQV-UHFFFAOYSA-N
XLogP3.68
TPSA141.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[4-[4-(6-methoxy-3-pyridinyl)-2-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenoxy]ethyl]carbamate
CID 86593903
[4-[2-(difluoromethyl)-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenyl] butanoate
CID 90710946
methanesulfonic acid;N-[2-[4-[4-(6-methoxy-3-pyridinyl)-2-(pyridin-2-ylsulfanylmethyl)-1,3-oxazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 86593912
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
2-[4-[2-(4-methoxyphenyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10386925
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
CID 23110249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea?
The IUPAC name of 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea (CID 91237321) is 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea.
What is the SMILES notation for 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea?
The canonical SMILES for 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea is COc1ccc(-c2nc(C(N=O)C3CC3)oc2-c2ccc(OCCNC(N)=O)cc2)cn1.
What is the InChIKey of 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea?
The InChIKey is SFWQELBXYBWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-30-17-9-6-15(12-25-17)18-20(32-21(26-18)19(27-29)13-2-3-13)14-4-7-16(8-5-14)31-11-10-24-22(23)28/h4-9,12-13,19H,2-3,10-11H2,1H3,(H3,23,24,28).
What are the key properties of 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea?
2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea has a molecular weight of 437.46 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclopropyl(nitroso)methyl]-4-(6-methoxy-3-pyridinyl)-1,3-oxazol-5-yl]phenoxy]ethylurea is sourced from PubChem (CID 91237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).