1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea

C19H26N4O2 — CID 97232042

IUPAC1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
SMILESCc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-11(20-12(2)18-13(3)23-25-14(18)4)15-5-7-16(8-6-15)21-19(24)22-17-9-10-17/h5-8,11-12,17,20H,9-10H2,1-4H3,(H2,21,22,24)/t11-,12-/m1/s1
InChIKeyUDAOEQFULLSWJS-VXGBXAGGSA-N
MW342.44 g/mol
LogP3.99
Rot. Bonds6

About 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea

1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea (PubChem CID 97232042) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
PubChem CID97232042
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
SMILESCc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-11(20-12(2)18-13(3)23-25-14(18)4)15-5-7-16(8-6-15)21-19(24)22-17-9-10-17/h5-8,11-12,17,20H,9-10H2,1-4H3,(H2,21,22,24)/t11-,12-/m1/s1
InChIKeyUDAOEQFULLSWJS-VXGBXAGGSA-N
XLogP3.99
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea with MolForge

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
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1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
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CID 97337891
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 129397268
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
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CID 87008083
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea
CID 94640742
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea (CID 97232042) is 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea is Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea?
The InChIKey is UDAOEQFULLSWJS-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11(20-12(2)18-13(3)23-25-14(18)4)15-5-7-16(8-6-15)21-19(24)22-17-9-10-17/h5-8,11-12,17,20H,9-10H2,1-4H3,(H2,21,22,24)/t11-,12-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea?
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea is sourced from PubChem (CID 97232042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).