1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

C16H20ClN5O2 — CID 75379153

IUPAC1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCN(c3ncccc3Cl)C2)oc1C
InChIInChI=1S/C16H20ClN5O2/c1-10-11(2)24-14(20-10)8-19-16(23)21-12-5-7-22(9-12)15-13(17)4-3-6-18-15/h3-4,6,12H,5,7-9H2,1-2H3,(H2,19,21,23)
InChIKeyVUZLPZSZZGWJJT-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.42
Rot. Bonds4

About 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 75379153) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID75379153
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC2CCN(c3ncccc3Cl)C2)oc1C
InChIInChI=1S/C16H20ClN5O2/c1-10-11(2)24-14(20-10)8-19-16(23)21-12-5-7-22(9-12)15-13(17)4-3-6-18-15/h3-4,6,12H,5,7-9H2,1-2H3,(H2,19,21,23)
InChIKeyVUZLPZSZZGWJJT-UHFFFAOYSA-N
XLogP2.42
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 75379153) is 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is Cc1nc(CNC(=O)NC2CCN(c3ncccc3Cl)C2)oc1C.
What is the InChIKey of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is VUZLPZSZZGWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-10-11(2)24-14(20-10)8-19-16(23)21-12-5-7-22(9-12)15-13(17)4-3-6-18-15/h3-4,6,12H,5,7-9H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 349.82 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 75379153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).