1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea

C19H25N3O3 — CID 100691281

IUPAC1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
SMILESCC(C)c1cnc(-c2ccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)cc2)o1
InChIInChI=1S/C19H25N3O3/c1-12(2)17-11-20-18(25-17)14-4-6-15(7-5-14)22-19(24)21-10-13-3-8-16(23)9-13/h4-7,11-13,16,23H,3,8-10H2,1-2H3,(H2,21,22,24)/t13-,16+/m1/s1
InChIKeyITLLPPOOLZLDKO-CJNGLKHVSA-N
MW343.43 g/mol
LogP3.75
Rot. Bonds5

About 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea

1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 100691281) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID100691281
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
SMILESCC(C)c1cnc(-c2ccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)cc2)o1
InChIInChI=1S/C19H25N3O3/c1-12(2)17-11-20-18(25-17)14-4-6-15(7-5-14)22-19(24)21-10-13-3-8-16(23)9-13/h4-7,11-13,16,23H,3,8-10H2,1-2H3,(H2,21,22,24)/t13-,16+/m1/s1
InChIKeyITLLPPOOLZLDKO-CJNGLKHVSA-N
XLogP3.75
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea (CID 100691281) is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea is CC(C)c1cnc(-c2ccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)cc2)o1.
What is the InChIKey of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is ITLLPPOOLZLDKO-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)17-11-20-18(25-17)14-4-6-15(7-5-14)22-19(24)21-10-13-3-8-16(23)9-13/h4-7,11-13,16,23H,3,8-10H2,1-2H3,(H2,21,22,24)/t13-,16+/m1/s1.
What are the key properties of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 100691281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).